descriptors/neutral_molecules Collection home page

Share - copy and redistribute the material in any medium or format. Adapt - remix, transform, and build upon the material for any purpose, even commercially. The licensor cannot revoke these freedoms as long as you follow the license terms.

Browse
Collection's Items (Sorted by Submit Date in Descending order): 1 to 9 of 9
PreviewIssue DateTitleAuthor(s)ProgramCalculation typeMethod(s)Basis SetEnergySolv.Vibr.Orb.
thumbnail.jpeg14-Jul-2015P6Besora, MariaGaussian; 09; EM64L-G09RevD.01Geometry optimization MinimumRB97D6-31g*-158.340627138; Eh
thumbnail.jpeg14-Jul-2015P3Besora, MariaGaussian; 09; EM64L-G09RevD.01Geometry optimization MinimumRB97D6-31g*-158.338597487; Eh
thumbnail.jpeg14-Jul-2015P2Besora, MariaGaussian; 09; EM64L-G09RevD.01Geometry optimization MinimumRB97D6-31g*-119.054144216; Eh
thumbnail.jpeg14-Jul-2015P7Besora, MariaGaussian; 09; EM64L-G09RevD.01Geometry optimization MinimumRB97D6-31g*-236.910069934; Eh
thumbnail.jpeg14-Jul-2015P1Besora, MariaGaussian; 09; EM64L-G09RevD.01Geometry optimization MinimumRB97D6-31g*-79.7699232147; Eh
thumbnail.jpeg14-Jul-2015P4Besora, MariaGaussian; 09; EM64L-G09RevD.01Geometry optimization MinimumRB97D6-31g*-197.623041714; Eh
thumbnail.jpeg14-Jul-2015P8Besora, MariaGaussian; 09; EM64L-G09RevD.01Geometry optimization MinimumRB97D6-31g*-197.624728811; Eh
thumbnail.jpeg14-Jul-2015P0Besora, MariaGaussian; 09; EM64L-G09RevD.01Geometry optimization MinimumRB97D6-31g*-40.4888420984; Eh
thumbnail.jpeg14-Jul-2015P5Besora, MariaGaussian; 09; EM64L-G09RevD.01Geometry optimization MinimumRB97D6-31g*-236.907504965; Eh
Collection's Items (Sorted by Submit Date in Descending order): 1 to 9 of 9
RSS Feed RSS Feed RSS Feed

Discover

Program name
Method